General Information of the Compound
| Compound ID |
CP0476716
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| Compound Name |
4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
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| Structure |
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| Formula |
C25H19F2N5O5
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| Molecular Weight |
507.453
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| Canonical SMILES |
Cc1c(cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12)C(O)=O
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| InChI |
InChI=1S/C25H19F2N5O5/c1-13-17(22(33)34)11-32-20(13)21(28-12-29-32)37-19-7-6-16(10-18(19)27)31-24(36)25(8-9-25)23(35)30-15-4-2-14(26)3-5-15/h2-7,10-12H,8-9H2,1H3,(H,30,35)(H,31,36)(H,33,34)
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| InChIKey |
MGKZTAAYTCJVMG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound